NaPd5Pb7
Alexandria ALEXAlex-ID: agm003679989 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_33_spg44
NaPdPb2 PdPb PdPb2
2022-04-10 07:24:14.442337
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003679989).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003679989
data_agm003679989
_cell_length_a 5.89583
_cell_length_b 7.76692
_cell_length_c 7.76692
_cell_angle_alpha 80.31471
_cell_angle_beta 67.69434
_cell_angle_gamma 67.69434
_cell_volume 304.30857
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na1 Na 0.94722 0.05278 0.05278 1.00000
Pd1 Pd 0.51340 0.99619 0.47923 1.00000
Pd2 Pd 0.01117 0.99619 0.47923 1.00000
Pd3 Pd 0.51340 0.47923 0.99619 1.00000
Pd4 Pd 0.01117 0.47923 0.99619 1.00000
Pd5 Pd 0.75813 0.74187 0.74187 1.00000
Pb1 Pb 0.62301 0.37699 0.37699 1.00000
Pb2 Pb 0.29742 0.70258 0.70258 1.00000
Pb3 Pb 0.99069 0.34026 0.67837 1.00000
Pb4 Pb 0.99069 0.67837 0.34026 1.00000
Pb5 Pb 0.27273 0.22727 0.22727 1.00000
Pb6 Pb 0.53548 0.78971 0.13932 1.00000
Pb7 Pb 0.53548 0.13932 0.78971 1.00000
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